Wushanicariin
[CAS# 115516-53-5]

Identification

• Name: Wushanicariin
• Synonyms: 2-(3,5-Dihydroxy-4-Methoxy-Phenyl)-6-(3-Methylbut-2-Enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Chromen-4-One; 2-(3,5-Dihydroxy-4-Methoxyphenyl)-6-(3-Methylbut-2-Enyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-4-Chromenone; 2-(3,5-Dihydroxy-4-Methoxy-Phenyl)-6-(3-Methylbut-2-Enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Chromone
• Molecular Formula: C₂₇H₃₀O₁₁
• Molecular Weight: 530.53
• CAS Registry Number: 115516-53-5
• SMILES: [C@@H]4(OC1=C(C=C2C(=C1)OC(=CC2=O)C3=CC(=C(OC)C(=C3)O)O)CC=C(C)C)O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO
• InChI: 1S/C27H30O11/c1-12(2)4-5-13-6-15-16(29)9-19(14-7-17(30)26(35-3)18(31)8-14)36-21(15)10-20(13)37-27-25(34)24(33)23(32)22(11-28)38-27/h4,6-10,22-25,27-28,30-34H,5,11H2,1-3H3/t22-,23-,24+,25-,27-/m1/s1
• InChIKey: LLNBDBPIVSGXJA-ZANOAUCBSA-N

Properties

• Density: 1.462g/cm³ (Cal.)
• Boiling point: 815.155°C at 760 mmHg (Cal.)
• Flash point: 272.635°C (Cal.)